4,5-dibromo-1H-pyrrole-2-carbaldehyde

Base Information

• Chemical Name: 4,5-dibromo-1H-pyrrole-2-carbaldehyde
• CAS No.: 932-82-1
• Molecular Formula: C5H3Br2NO
• Molecular Weight: 252.893
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80428425
• Nikkaji Number: J2.060.385B
• Wikidata: Q82241255
• Mol file: 932-82-1.mol

Synonyms:4,5-dibromo-1H-pyrrole-2-carbaldehyde;932-82-1;4,5-Dibromo-1H-pyrrole-2-carboxaldehyde;1H-Pyrrole-2-carboxaldehyde, 4,5-dibromo-;MFCD07363813;4,5-dibromo-2-formylpyrrole;SCHEMBL2009527;DTXSID80428425;AMY19072;AC7334;AKOS015834607;AB30821;BS-29641;SY157733;1H-Pyrrole-2-carboxaldehyde,4,5-dibromo-;CS-0212147;FT-0743902;EN300-171689;A859837;4,5-Dibromo-1H-pyrrole-2-carbaldehyde, AldrichCPR;Z1269193972

Chemical Property of 4,5-dibromo-1H-pyrrole-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 7.78E-05mmHg at 25°C
• Melting Point: 144-148°C
• Refractive Index: 1.691
• Boiling Point: 341.9 °C at 760 mmHg
• Flash Point: 160.6 °C
• PSA: 32.86000
• Density: 2.262 g/cm³
• LogP: 2.35220
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 252.85609
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

4,5-Dibromo-1H-pyrrole-2-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=C1Br)Br)C=O

Technology Process of 4,5-dibromo-1H-pyrrole-2-carbaldehyde

There total 2 articles about 4,5-dibromo-1H-pyrrole-2-carbaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

2-pyrrole aldehyde (1003-29-8,254729-95-8) → 4,5-dibromo-1H-pyrrole-2-carbaldehyde (932-82-1)

Guidance literature:

With N-Bromosuccinimide; In tetrahydrofuran; at -78 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03672

Reference yield:

→ 4,5-dibromo-1H-pyrrole-2-carbaldehyde (932-82-1)

Guidance literature:

Verb. 1, 1.) Br2, 2.) NaOH;

DOI:10.1021/jo00972a001

Reference yield: 86.0%

4,5-dibromo-1H-pyrrole-2-carbaldehyde (932-82-1) + 3-tert-butyl-2-hydroxybenzaldehyde (24623-65-2) + 1,2-diamino-benzene (95-54-5) → C22H21Br2N3O

Guidance literature:

3-tert-butyl-2-hydroxybenzaldehyde; With pyridine; In methanol; for 0.0833333h;

1,2-diamino-benzene; In methanol; at 20 ℃; for 2h;

4,5-dibromo-1H-pyrrole-2-carbaldehyde; With sodium hydroxide; In methanol; for 0.333333h; Heating;

upstream raw materials:

2-pyrrole aldehyde

Downstream raw materials:

5-formyl-4-methyl-1H-pyrrole-2-carbaldehyde

5-bromo-1H-pyrrole-2-carbaxaldehyde

ethyl 2,3-dibromo-6-methylindolizine-7-carboxylate

4,5-dibromo-1-[2-(trimethylsilyl)ethoxy]methylpyrrol-2-carbaldehyde